SCHEMBL6587925

SCHEMBL6587925

COc1ccc(C2=NC(C)(C)CO2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.54
KDM4E B2RXH2 1/20 0.49
CYP2D6 P10635 1/20 0.48
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
XDH P47989 1/20 0.40
PTGS2 P35354 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8824306 0.89 HRH3 (0.46) HRH3KDM4ECYP2D6MAPTLMNA
SCHEMBL471858 0.87 KDM4E (0.60) HRH3KDM4ECYP2D6MAPTLMNA
SCHEMBL9150008 0.85 HRH3 (0.46) HRH3KDM4ECYP2D6MAPTLMNA
SCHEMBL8824282 0.84 HRH3 (0.43) HRH3KDM4ECYP2D6MAPTLMNA
SCHEMBL8824308 0.84 HRH3 (0.43) HRH3KDM4ECYP2D6MAPTLMNA
SCHEMBL10768863 0.83 KDM4E (0.45) HRH3KDM4ECYP2D6MAPTLMNA
SCHEMBL3030444 0.81 HRH3 (0.50) HRH3KDM4ECYP2D6MAPTLMNA
SCHEMBL1996001 0.81 KDM4E (0.51) HRH3KDM4EMAPTLMNAHTT
SCHEMBL20409590 0.80 KDM4E (0.53) HRH3KDM4ECYP2D6MAPTLMNA
SCHEMBL3942245 0.80 KDM4E (0.53) HRH3KDM4ECYP2D6MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724706-B Method for rapidly converting aldehyde group into cyano group 中国科学院兰州化学物理研究所 2024-04-12 CN disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
CN-115724706-A Method for quickly converting aldehyde group into cyano group 中国科学院兰州化学物理研究所 2023-03-03 CN disclosed
CN-115667225-A Compound (I) 詹森药业有限公司 2023-01-31 CN disclosed
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 WO disclosed
US-7879846-B2 e.g. 2-(2-Imidazol-1-yl-pyridin-3-yl)-5-methyl-4H-benz[d][1,3]oxazin-4-one ; neutrophil elastase inhibitor; antiinflammatory agent, respiratory system disorders Kyorin Pharmaceutical Co.., Ltd. (JP) 2011-02-01 US disclosed
US-7879846-B2 e.g. 2-(2-Imidazol-1-yl-pyridin-3-yl)-5-methyl-4H-benz[d][1,3]oxazin-4-one ; neutrophil elastase inhibitor; antiinflammatory agent, respiratory system disorders Kyorin Pharmaceutical Co.., Ltd. (JP) 2011-02-01 US disclosed
US-20080161290-A1 Serine hydrolase inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-20080161290-A1 Serine hydrolase inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-6388077-B1 CARDIOVASCULAR DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
US-20020052371-A1 NOVEL SPIRO COMPOUNDS MSD K.K. (JP) 2002-05-02 US disclosed
US-6335345-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; OBESITY AND BULIMIA TREATMENT; CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, METABOLIC AND EATING DISORDERS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-01-01 US disclosed
US-6329370-B1 CARDIOVASCULAR DISORDERS AND TUMOR NECROSIS FACTOR (HEREINAFTER TNF.SUB..ALPHA.), A CYTOKINE WITH PRO-INFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2001-12-11 US disclosed
US-6326375-B1 CONTAINING AN UREA GROUP BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-12-04 US disclosed
EP-1097142-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2001-05-09 EP disclosed
WO-2000005218-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2000-02-03 WO disclosed
WO-1998038168-A1 ISOQUINOLINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1998-09-03 WO disclosed
EP-0365149-A2 Leukotriene antagonist prodrugs SMITHKLINE BEECHAM CORPORATION (US) 1990-04-25 EP disclosed
US-3953432-A OXAZOLINE DERIVATIVES COMMERCIAL SOLVENTS CORPORATION (US) 1976-04-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B HRH3 930/4885KDM4E 3777/4885CYP2D6 1827/4885
US-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 HRH3 360/4885KDM4E 3112/4885CYP2D6 930/4885
US-20080161290-A1 Serine hydrolase inhibitors SERPINB1, ELANE, EPX HRH3 598/4885KDM4E 1816/4885CYP2D6 2279/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.